5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid

C15H16N2O6S2 — CID 119246200

IUPAC5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H16N2O6S2/c18-14(16-9-10-3-4-11(23-10)15(19)20)13-12(5-8-24-13)25(21,22)17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyDJVXIUNAFMXVRZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.75
Rot. Bonds6

About 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 119246200) has the molecular formula C15H16N2O6S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID119246200
Molecular FormulaC15H16N2O6S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Name5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C15H16N2O6S2/c18-14(16-9-10-3-4-11(23-10)15(19)20)13-12(5-8-24-13)25(21,22)17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyDJVXIUNAFMXVRZ-UHFFFAOYSA-N
XLogP1.75
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 22108462
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55897304
N-[(3-bromo-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60621527
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
5-[(azepan-1-ylsulfonylamino)methyl]furan-2-carboxylic acid
CID 75356375
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55890848
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55749896
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46486195
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 119246200) is 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is DJVXIUNAFMXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S2/c18-14(16-9-10-3-4-11(23-10)15(19)20)13-12(5-8-24-13)25(21,22)17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2,(H,16,18)(H,19,20).
What are the key properties of 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).